SCHEMBL10104521

SCHEMBL10104521

Cc1cc(C(F)(F)F)cc(N2CCCCC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A3 P47895 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
NR4A1 P22736 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.37
SRPK2 P78362 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
SRPK3 Q9UPE1 1/20 0.37
TSHR P16473 2/20 0.37
ADRB1 P08588 1/20 0.36
NPY5R Q15761 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10104536 0.98 MAPT (0.40) MAPTALDH1A3ALDH1A1GAAMEN1
SCHEMBL10104534 0.84 ALDH1A1 (0.48) MAPTALDH1A1GAASMN1; SMN2SRPK1
SCHEMBL10104368 0.84 ADRB2 (0.43) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL10104532 0.83 ALDH1A1 (0.53) MAPTALDH1A1GAASMN1; SMN2SRPK1
SCHEMBL19203624 0.81 ALDH1A1 (0.41) MAPTALDH1A3ALDH1A1GAAMEN1
SCHEMBL25795117 0.81 FFAR4 (0.50) MAPTALDH1A3ALDH1A1GAAMEN1
SCHEMBL10104529 0.80 MAPT (0.47) MAPTALDH1A1GAALMNA
SCHEMBL19088576 0.79 FFAR4 (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13997372 0.79 ALDH1A1 (0.54) MAPTALDH1A3ALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL31387861 0.77 ALDH1A1 (0.57) MAPTALDH1A3ALDH1A1GAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MAPT 3852/4885ALDH1A3 659/4885ALDH1A1 175/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 MAPT 3272/4885ALDH1A3 2716/4885ALDH1A1 860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.